2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid

C8H13NO3 — CID 83682880

IUPAC2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCCC1C(C(=O)O)CC(=O)N1C
InChIInChI=1S/C8H13NO3/c1-3-6-5(8(11)12)4-7(10)9(6)2/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyFHZIMOUKTTYWFV-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.33
Rot. Bonds2

About 2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid

2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 83682880) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid
PubChem CID83682880
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCCC1C(C(=O)O)CC(=O)N1C
InChIInChI=1S/C8H13NO3/c1-3-6-5(8(11)12)4-7(10)9(6)2/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyFHZIMOUKTTYWFV-UHFFFAOYSA-N
XLogP0.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 124510159
(2R,3R)-1,2-diethyl-5-oxopyrrolidine-3-carboxylic acid
CID 124510189
(2R,3S)-1-dodecyl-5-oxo-2-undecylpyrrolidine-3-carboxylic acid
CID 171432322
(2R,3R)-2-(4-ethylphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 94769672
7-chloro-2-ethyl-1-methyl-3,4-dihydro-2H-1,5-naphthyridine-3-carboxylic acid
CID 129272049
(2S)-1,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid
CID 67458673
(1S,5S,7R)-2-methyl-3-oxo-2-azabicyclo[3.2.1]octane-7-carboxylic acid
CID 129413531
5-ethyl-1-methyl-4-(methylamino)pyrrolidine-3-carboxylic acid
CID 83847027
1-methyl-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid
CID 114557617
(2R,3S)-1-ethyl-5-oxo-2-propan-2-ylpyrrolidine-3-carboxylic acid
CID 82397843
(2R,3S)-1-dodecyl-2-[(8Z,11Z)-heptadeca-8,11-dienyl]-5-oxopyrrolidine-3-carboxylic acid
CID 171432317
1,4-dimethyl-5-pentylpyrrolidin-2-one
CID 138496527

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid (CID 83682880) is 2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid is CCC1C(C(=O)O)CC(=O)N1C.
What is the InChIKey of 2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is FHZIMOUKTTYWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-6-5(8(11)12)4-7(10)9(6)2/h5-6H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 83682880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).